Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 11/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18668619 | 0.88 | DRD2 (0.38) | MTNR1ADRD2DRD4 | |
| SCHEMBL18668649 | 0.84 | MTNR1A (0.54) | MTNR1AHDAC6HDAC1HDAC8DRD2 | |
| SCHEMBL18668712 | 0.81 | MTNR1A (0.36) | MTNR1AHDAC6HDAC1HDAC8DRD2 | |
| SCHEMBL18668651 | 0.77 | ESR1 (0.34) | DRD4 | |
| SCHEMBL4763545 | 0.71 | ITGB3 (0.40) | MTNR1A | |
| SCHEMBL18668682 | 0.71 | MTNR1A (0.54) | MTNR1ADRD2 | |
| SCHEMBL6194447 | 0.71 | TRPM5 (0.43) | MTNR1A | |
| SCHEMBL10841342 | 0.68 | AR (0.43) | MTNR1ADRD4 | |
| SCHEMBL6196313 | 0.68 | ESR1 (0.39) | MTNR1ADRD4 | |
| SCHEMBL8857977 | 0.67 | MTNR1A (0.46) | MTNR1ADRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017053360-A1 | BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-03-30 | — | — | WO | disclosed |